MC-Alkyl-Hydrazine Modified MMAF
HIT212667978
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HIT ID: HIT212667978
Cas No: 1404071-64-2
分子式: C59H92N10O12
分子量: 1133.443
常用名: MC-Alkyl-Hydrazine Modified MMAF
常用名: MC-Alkyl-Hydrazine Modified MMAF
氢键受体数 (HBA): 13
氢键供体数 (HBD): 5
LogP: 3.6960304
IUPAC: (2S)-2-[(2S)-2-({4-[6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanehydrazido]-4-oxobutyl}(methyl)amino)-3-methylbutanamido]-N-[(3R,4R,5S)-1-[(2S)-2-[(1R,2R)-2-{[(2S)-3-(1H-indol-3-yl)-1-(1,2-oxazinan-2-yl)-1-oxopropan-2-yl]carbamoyl}-1-methoxy-2-methylethyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide
IUPAC: (2S)-2-[(2S)-2-({4-[6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanehydrazido]-4-oxobutyl}(methyl)amino)-3-methylbutanamido]-N-[(3R,4R,5S)-1-[(2S)-2-[(1R,2R)-2-{[(2S)-3-(1H-indol-3-yl)-1-(1,2-oxazinan-2-yl)-1-oxopropan-2-yl]carbamoyl}-1-methoxy-2-methylethyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide
SMILES: [H][C@]([C@@H](C)CC)([C@@H](CC(=O)N1CCC[C@@]1([H])[C@H](OC)[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCCCO1)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)CCCC(=O)NNC(=O)CCCCCN1C(=O)C=CC1=O)C(C)C |c:80|
SMILES: [H][C@]([C@@H](C)CC)([C@@H](CC(=O)N1CCC[C@@]1([H])[C@H](OC)[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCCCO1)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)CCCC(=O)NNC(=O)CCCCCN1C(=O)C=CC1=O)C(C)C |c:80|
InChI key: PRQULPMRBYRDQV-CJTIIHCBSA-N
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